Re: [AMBER] odd output from rms measurement

From: Daniel Roe <>
Date: Thu, 24 Mar 2011 03:02:13 -0400


On Wed, Mar 23, 2011 at 8:35 PM, Jason Swails <> wrote:
> Dan or Tom would probably know this better than me, but it seems that the
> existence of spaces in the mask definition (without using "" to encompass
> them) could be problematic, as the parser would interpret that as different
> tokens.  No guarantee this is true, since I'm not a ptraj expert.

Just to confirm, Jason is correct on this; ptraj will interpret

:1-112 .CA, C, N

as four separate tokens and will only use ":1-112" as the mask. Remove
the spaces to get ptraj to process the entire mask.


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Received on Thu Mar 24 2011 - 00:30:03 PDT
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